NAV

Iotroxic acid

This drug entry is astuband has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Iotroxic acid
DrugBank Accession Number
DB08945
Background

Iotroxic acid is a contrast medium molecule.

Type
Small Molecule
Groups
Experimental, Withdrawn
Structure
MOL SDF PDB SMILES InChI
Similar Structures
Weight
Average: 1215.8131
Monoisotopic: 1215.528040704
Chemical Formula
C22H18I6N2O9
Synonyms
  • Acide iotroxique
  • Acido iotroxico
  • Acidum iotroxicum
  • Iotroxic acid
  • Iotroxinsaeure
External IDs
  • BRN 2800081
  • SH 213 AB
  • SH 213AB
  • SH-213AB

Pharmacology

指示

Not Available

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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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毒性

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRsBrowse all" title="" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

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This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Products

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Product Ingredients
Ingredient UNII CAS InChI Key
Iotroxate meglumine 389136RRO0 68890-05-1 WLQIGBUDSUVJCO-WZTVWXICSA-N
International/Other Brands
Biliscopin (Bayer Schering)/Biliscopin DIC (Bayer Yakuhin)

Categories

ATC Codes
V08AC02 — Iotroxic acid
Drug Categories
Chemical TaxonomyProvided byClassyfire
Description
This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzoic acids and derivatives
Direct Parent
Acylaminobenzoic acid and derivatives
Alternative Parents
2-halobenzoic acids/4-halobenzoic acids/Halobenzoic acids/Anilides/Benzoic acids/1-carboxy-2-haloaromatic compounds/N-arylamides/Benzoyl derivatives/Iodobenzenes/Aryl iodides
show 9 more
Substituents
1-carboxy-2-haloaromatic compound/2-halobenzoic acid/2-halobenzoic acid or derivatives/4-halobenzoic acid/4-halobenzoic acid or derivatives/Acylaminobenzoic acid or derivatives/Anilide/Aromatic homomonocyclic compound/Aryl halide/Aryl iodide
show 25 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
84C5PTP9X6
CAS number
51022-74-3
InChI Key
JXMIBUGMYLQZGO-UHFFFAOYSA-N
InChI
InChI=1S/C22H18I6N2O9/c23-9-5-11(25)19(17(27)15(9)21(33)34)29-13(31)7-38-3-1-37-2-4-39-8-14(32)30-20-12(26)6-10(24)16(18(20)28)22(35)36/h5-6H,1-4,7-8H2,(H,29,31)(H,30,32)(H,33,34)(H,35,36)
IUPAC Name
3-{2-[2-(2-{[(3-carboxy-2,4,6-triiodophenyl)carbamoyl]methoxy}ethoxy)ethoxy]acetamido}-2,4,6-triiodobenzoic acid
SMILES
OC(=O)C1=C(I)C(NC(=O)COCCOCCOCC(=O)NC2=C(I)C(C(O)=O)=C(I)C=C2I)=C(I)C=C1I

References

一般引用
Not Available
ChemSpider
3609
ChEBI
31716
ChEMBL
CHEMBL1651905
Wikipedia
Iotroxic_acid

Clinical Trials

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Phase Status Purpose Conditions Count

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Form Route Strength
Solution Parenteral
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
Property Value Source
Water Solubility 0.0047 mg/mL ALOGPS
logP 3.42 ALOGPS
logP 6.74 Chemaxon
logS -5.4 ALOGPS
pKa (Strongest Acidic) 2.02 Chemaxon
pKa (Strongest Basic) -3.9 Chemaxon
Physiological Charge -2 Chemaxon
Hydrogen Acceptor Count 9 Chemaxon
Hydrogen Donor Count 4 Chemaxon
Polar Surface Area 160.49 Å2 Chemaxon
Rotatable Bond Count 14 Chemaxon
Refractivity 198.51 m3·mol-1 Chemaxon
Polarizability 77.53 Å3 Chemaxon
Number of Rings 2 Chemaxon
Bioavailability 0 Chemaxon
Rule of Five No Chemaxon
Ghose Filter No Chemaxon
Veber's Rule No Chemaxon
MDDR-like规则 No Chemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Spectrum Spectrum Type Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available

Drug created at May 27, 2014 16:02 / Updated at February 21, 2021 18:52